UCSF

ZINC42172225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 6.23 -109.11 4 2 2 33 212.381 4
Hi High (pH 8-9.5) 2.95 4.86 -37.54 3 2 1 29 211.373 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )